Brief Information of the Compound and Protein
Compound Name
2-[(5R,8S,11S,17S,20S,23S,26R)-26-[(2S)-2-[[(1S)-4-amino-1-[[(5R,8S,11S,14S,17S,20R)-20-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-14-(3-guanidinopropyl)-11-[(4-hydroxyphenyl)methyl]-8-isobutyl-17-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-3,22-dithia-7,10,13,16,19,28-hexazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-5-yl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-11-(4-aminobutyl)-5-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-8,23-bis(3-guanidinopropyl)-17-isobutyl-6,9,12,15,18,21,24-heptaoxo-3,28-dithia-7,10,13,16,19,22,25,34-octazabicyclo[28.3.1]tetratriaconta-1(33),30(34),31-trien-20-yl]acetic acid
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PubChem ID
CID: 168276954
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cccc(n3)CSC[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(N)=O)NC1=O
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Compound Formula C102H158N34O23S4
Compound Structure
Protein Name
Kallikrein-7
Protein Classification
Enzyme
>
Protease
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Serine protease
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Serine protease PA clan
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Serine protease S1A subfamily
Uniprot ID
P49862
Gene Name
KLK7
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 66 nM
   TI
   LI
   LO
   TS